CID 57423976

7-methyl-4h,5h-thieno[2,3-c]pyridine

Structural Information

Molecular Formula
C8H9NS
SMILES
CC1=NCCC2=C1SC=C2
InChI
InChI=1S/C8H9NS/c1-6-8-7(2-4-9-6)3-5-10-8/h3,5H,2,4H2,1H3
InChIKey
QNWYGZSYCSFXOO-UHFFFAOYSA-N
Compound name
7-methyl-4,5-dihydrothieno[2,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

151.04558 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05286 127.8
[M+Na]+ 174.03480 137.8
[M-H]- 150.03830 131.6
[M+NH4]+ 169.07940 151.7
[M+K]+ 190.00874 135.2
[M+H-H2O]+ 134.04284 122.6
[M+HCOO]- 196.04378 145.8
[M+CH3COO]- 210.05943 142.4
[M+Na-2H]- 172.02025 132.2
[M]+ 151.04503 129.0
[M]- 151.04613 129.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe